EP 3906556 A4 20220928 - METHOD AND SYSTEM FOR PREDICTING DRUG BINDING USING SYNTHETIC DATA
Title (en)
METHOD AND SYSTEM FOR PREDICTING DRUG BINDING USING SYNTHETIC DATA
Title (de)
VERFAHREN UND SYSTEM ZUR VORHERSAGE DER WIRKSTOFFBINDUNG MITTELS SYNTHETISCHER DATEN
Title (fr)
PROCÉDÉ ET SYSTÈME DE PRÉDICTION DE LIAISON DE MÉDICAMENT À L'AIDE DE DONNÉES DE SYNTHÈSE
Publication
Application
Priority
- US 201962788682 P 20190104
- CA 2020050005 W 20200102
Abstract (en)
[origin: WO2020140156A1] A method for predicting drug-target binding using synthetically-augmented data involves generating a multitude of ghost ligands for a multitude of proteins in a protein structure database, generating a multitude of drug-target interaction (DTI) features for proteins and ligands in a DTI database, using the multitude of ghost ligands, generating a machine learning model using the multitude of DTI features, and predicting a likelihood of interaction for a combination of a query protein and a query ligand using the machine learning model.
IPC 8 full level
G16B 15/30 (2019.01); G16B 40/20 (2019.01); G16B 40/30 (2019.01)
CPC (source: EP IL KR US)
G16B 15/30 (2019.02 - EP IL KR US); G16B 35/10 (2019.02 - KR); G16B 40/20 (2019.02 - EP IL KR US); G16B 40/30 (2019.02 - EP IL KR)
Citation (search report)
- [XAY] US 2012239367 A1 20120920 - TONG JOO CHUAN VICTOR [SG], et al
- [A] US 2014258207 A1 20140911 - PETREY DONALD [US], et al
- [Y] HUANG YU-AN ET AL: "A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences", CURRENT PROTEIN AND PEPTIDE SCIENCE, vol. 19, no. 5, 1 May 2018 (2018-05-01), NL, pages 468 - 478, XP055952478, ISSN: 1389-2037, Retrieved from the Internet <URL:https://www.sciencedirect.com/science/article/pii/S1532046419300772/pdfft?md5=50ec83acde1380e5ba7c48de031741ce&pid=1-s2.0-S1532046419300772-main.pdf> [retrieved on 20220817], DOI: 10.2174/1389203718666161122103057
- [A] MEI JIAN-PING ET AL: "Drug-target interaction prediction by learning from local information and neighbors", BIOINFORMATICS, vol. 29, no. 2, 17 November 2012 (2012-11-17), GB, pages 238 - 245, XP055952094, ISSN: 1367-4803, Retrieved from the Internet <URL:https://academic.oup.com/bioinformatics/article-pdf/29/2/238/17124669/bts670.pdf> [retrieved on 20220816], DOI: 10.1093/bioinformatics/bts670
- See also references of WO 2020140156A1
Designated contracting state (EPC)
AL AT BE BG CH CY CZ DE DK EE ES FI FR GB GR HR HU IE IS IT LI LT LU LV MC MK MT NL NO PL PT RO RS SE SI SK SM TR
DOCDB simple family (publication)
WO 2020140156 A1 20200709; CA 3125513 A1 20200709; CN 113728390 A 20211130; EP 3906556 A1 20211110; EP 3906556 A4 20220928; IL 284550 A 20210831; JP 2022516344 A 20220225; KR 20210136982 A 20211117; US 2022108766 A1 20220407
DOCDB simple family (application)
CA 2020050005 W 20200102; CA 3125513 A 20200102; CN 202080018155 A 20200102; EP 20735932 A 20200102; IL 28455021 A 20210701; JP 2021539344 A 20200102; KR 20217024362 A 20200102; US 202017420582 A 20200102